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CHEBI:210703 - Agaric acid

Default Structure
ChEBI IDCHEBI:210703
ChEBI NameAgaric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H40O7
Net Charge0
Average Mass416.555
Monoisotopic Mass416.27740
SMILESCCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28)
InChIKeyHZLCGUXUOFWCCN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Polyporus (ncbitaxon:5637) - DOI (10.1002/jlac.19073570204)
ChEBI Ontology
Outgoing Relation(s)
Agaric acid (CHEBI:210703) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2-hydroxynonadecane-1,2,3-tricarboxylic acid
Manual XrefsDatabases
12108ChemSpider
Registry NumbersSources
CAS:666-99-9ChemIDplus